[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate

C18H20N4O7S — CID 70213172

IUPAC[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)cc1
InChIInChI=1S/C18H20N4O7S/c1-2-19-16(24)12-3-6-14(7-4-12)30(27,28)22-17(25)13-5-8-15(21-11-13)29-18(26)20-9-10-23/h3-8,11,23H,2,9-10H2,1H3,(H,19,24)(H,20,26)(H,22,25)
InChIKeyNJBAYCWDZXKYEO-UHFFFAOYSA-N
MW436.45 g/mol
LogP0.03
Rot. Bonds8

About [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate

[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate (PubChem CID 70213172) has the molecular formula C18H20N4O7S and a molecular weight of 436.45 g/mol. Its IUPAC name is [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
PubChem CID70213172
Molecular FormulaC18H20N4O7S
Molecular Weight436.45 g/mol
Exact Mass436.11
IUPAC Name[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)cc1
InChIInChI=1S/C18H20N4O7S/c1-2-19-16(24)12-3-6-14(7-4-12)30(27,28)22-17(25)13-5-8-15(21-11-13)29-18(26)20-9-10-23/h3-8,11,23H,2,9-10H2,1H3,(H,19,24)(H,20,26)(H,22,25)
InChIKeyNJBAYCWDZXKYEO-UHFFFAOYSA-N
XLogP0.03
TPSA163.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
CID 70210869
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189
[5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212108
[5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70213168
[5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212202
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70214059
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
CID 70213122
[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70210949
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
[5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70210901
[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212124

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate (CID 70213172) is [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate is CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)cc1.
What is the InChIKey of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The InChIKey is NJBAYCWDZXKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S/c1-2-19-16(24)12-3-6-14(7-4-12)30(27,28)22-17(25)13-5-8-15(21-11-13)29-18(26)20-9-10-23/h3-8,11,23H,2,9-10H2,1H3,(H,19,24)(H,20,26)(H,22,25).
What are the key properties of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate has a molecular weight of 436.45 g/mol, XLogP of 0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 70213172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).